BDBM50212188 CHEMBL438691::ethanesulfonic acid ((5R,14R)-5-amino-5-methyl-16-oxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-methyl-amide

SMILES: CCS(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3

InChI Key: InChIKey=QNZOLVRTSHQPDP-PQHLKRTFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50212188   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50212188 (CHEMBL438691 | ethanesulfonic acid ((5R,14R)-5-ami...) Show SMILES CCS(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3 Show InChI InChI=1S/C30H37N3O4S/c1-4-38(35,36)33(3)27-17-24-16-26(18-27)29(34)32-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(15-22)19-30(2,31)21-37-20-24/h5-12,15-18,28H,4,13-14,19-21,31H2,1-3H3,(H,32,34)/t28-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
					More data for this Ligand-Target Pair